N-(3-chloro-4-methoxyphenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide

C21H25ClN6O2 — CID 53069687

IUPACN-(3-chloro-4-methoxyphenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide
SMILESCOc1ccc(NC(=O)CCc2c(C)nn(-c3cc(N(C)C)ncn3)c2C)cc1Cl
InChIInChI=1S/C21H25ClN6O2/c1-13-16(7-9-21(29)25-15-6-8-18(30-5)17(22)10-15)14(2)28(26-13)20-11-19(27(3)4)23-12-24-20/h6,8,10-12H,7,9H2,1-5H3,(H,25,29)
InChIKeyGPGVBLPLMRJNOE-UHFFFAOYSA-N
MW428.92 g/mol
LogP3.58
Rot. Bonds7

About N-(3-chloro-4-methoxyphenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide

N-(3-chloro-4-methoxyphenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide (PubChem CID 53069687) has the molecular formula C21H25ClN6O2 and a molecular weight of 428.92 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide
PubChem CID53069687
Molecular FormulaC21H25ClN6O2
Molecular Weight428.92 g/mol
Exact Mass428.17
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide
SMILESCOc1ccc(NC(=O)CCc2c(C)nn(-c3cc(N(C)C)ncn3)c2C)cc1Cl
InChIInChI=1S/C21H25ClN6O2/c1-13-16(7-9-21(29)25-15-6-8-18(30-5)17(22)10-15)14(2)28(26-13)20-11-19(27(3)4)23-12-24-20/h6,8,10-12H,7,9H2,1-5H3,(H,25,29)
InChIKeyGPGVBLPLMRJNOE-UHFFFAOYSA-N
XLogP3.58
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide
CID 53069666
N-(2-chloro-4-fluorophenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 53006375
N-benzyl-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 53069636
N-(3-chloro-4-methoxyphenyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23602953
N-(4-bromophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide
CID 53069539
N-(3,4-dimethylphenyl)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanamide
CID 9039927
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 53069654
N-(2-chlorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide
CID 53069471
N-(3-chloro-4-methoxyphenyl)-3-(2-methylphenoxy)propanamide
CID 2110283
3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 53069490
N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)propanamide
CID 110343385

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide (CID 53069687) is N-(3-chloro-4-methoxyphenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide is COc1ccc(NC(=O)CCc2c(C)nn(-c3cc(N(C)C)ncn3)c2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide?
The InChIKey is GPGVBLPLMRJNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN6O2/c1-13-16(7-9-21(29)25-15-6-8-18(30-5)17(22)10-15)14(2)28(26-13)20-11-19(27(3)4)23-12-24-20/h6,8,10-12H,7,9H2,1-5H3,(H,25,29).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide?
N-(3-chloro-4-methoxyphenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide has a molecular weight of 428.92 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide is sourced from PubChem (CID 53069687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).